ADD: specs that works together
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47
env/merlin/spack.yaml
vendored
47
env/merlin/spack.yaml
vendored
@ -542,29 +542,30 @@ spack:
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- PKG_CONFIG_PATH
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#<<<
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specs:
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- matrix:
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- [alps, geant4]
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- ['%gcc@8.3.0']
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- [^openmpi]
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- [^openblas]
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- [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11 ^py-numpy@1.19.5 ^python@3.6.13]
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- matrix:
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- [gromacs, h5hut+mpi, lammps, vtk]
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- ['%gcc@12.1.0']
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- [^openmpi]
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- [^openblas]
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# to be fixed
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# - matrix:
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# - [cp2k]
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# - ['%oneapi']
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# - [^intel-oneapi-mpi]
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# - [^intel-oneapi-mkl]
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# - matrix:
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# - [relion +cuda]
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# - ['%nvhpc']
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# - [^openmpi]
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# - [^openblas]
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#
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- matrix:
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- [alps, geant4]
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- ['%gcc@8.3.0']
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- [^openmpi]
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- [^openblas]
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- [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11 ^py-numpy@1.19.5
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^python@3.6.13]
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- matrix:
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- [gromacs, h5hut+mpi, lammps, visit]
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- ['%gcc@12.1.0']
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- [^openmpi]
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- [^openblas]
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- [^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0]
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# to be fixed
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# - matrix:
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# - [cp2k]
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# - ['%oneapi']
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# - [^intel-oneapi-mpi]
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# - [^intel-oneapi-mkl]
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# - matrix:
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# - [relion +cuda]
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# - ['%nvhpc']
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# - [^openmpi]
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# - [^openblas]
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view:
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Batchsystem:
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link: all
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